2-(benzylamino)-8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Chemical Structure Depiction of
2-(benzylamino)-8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
2-(benzylamino)-8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
Compound characteristics
| Compound ID: | C200-3996 |
| Compound Name: | 2-(benzylamino)-8-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]-5H-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one |
| Molecular Weight: | 545.06 |
| Molecular Formula: | C28 H25 Cl N6 O2 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(c1ccc2C(N3C(=Nc2c1)SC(NCc1ccccc1)=N3)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.4414 |
| logD: | 4.4226 |
| logSw: | -4.6389 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.797 |
| InChI Key: | MEHPLMKZXRZICV-UHFFFAOYSA-N |